bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate

C128H238N32O12 — CID 90476792

IUPACbis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate
SMILESCOCCCN(c1nc(NCCN(CCOC(=O)CCC(=O)OCCN(CCNc2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C128H238N32O12/c1-113(2)75-91(76-114(3,4)143-113)153(53-41-65-163-33)105-131-101(132-106(139-105)154(54-42-66-164-34)92-77-115(5,6)144-116(7,8)78-92)129-51-61-151(103-135-109(157(57-45-69-167-37)95-83-121(17,18)147-122(19,20)84-95)141-110(136-103)158(58-46-70-168-38)96-85-123(21,22)148-124(23,24)86-96)63-73-171-99(161)49-50-100(162)172-74-64-152(104-137-111(159(59-47-71-169-39)97-87-125(25,26)149-126(27,28)88-97)142-112(138-104)160(60-48-72-170-40)98-89-127(29,30)150-128(31,32)90-98)62-52-130-102-133-107(155(55-43-67-165-35)93-79-117(9,10)145-118(11,12)80-93)140-108(134-102)156(56-44-68-166-36)94-81-119(13,14)146-120(15,16)82-94/h91-98,143-150H,41-90H2,1-40H3,(H,129,131,132,139)(H,130,133,134,140)
InChIKeyZSPIQTVTZPBIJK-UHFFFAOYSA-N
MW2417.52 g/mol
LogP16.05
Rot. Bonds67

About bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate

bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate (PubChem CID 90476792) has the molecular formula C128H238N32O12 and a molecular weight of 2417.52 g/mol. Its IUPAC name is bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate.

Molecular Properties

Compound Namebis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate
PubChem CID90476792
Molecular FormulaC128H238N32O12
Molecular Weight2417.52 g/mol
Exact Mass2415.90
IUPAC Namebis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate
SMILESCOCCCN(c1nc(NCCN(CCOC(=O)CCC(=O)OCCN(CCNc2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C128H238N32O12/c1-113(2)75-91(76-114(3,4)143-113)153(53-41-65-163-33)105-131-101(132-106(139-105)154(54-42-66-164-34)92-77-115(5,6)144-116(7,8)78-92)129-51-61-151(103-135-109(157(57-45-69-167-37)95-83-121(17,18)147-122(19,20)84-95)141-110(136-103)158(58-46-70-168-38)96-85-123(21,22)148-124(23,24)86-96)63-73-171-99(161)49-50-100(162)172-74-64-152(104-137-111(159(59-47-71-169-39)97-87-125(25,26)149-126(27,28)88-97)142-112(138-104)160(60-48-72-170-40)98-89-127(29,30)150-128(31,32)90-98)62-52-130-102-133-107(155(55-43-67-165-35)93-79-117(9,10)145-118(11,12)80-93)140-108(134-102)156(56-44-68-166-36)94-81-119(13,14)146-120(15,16)82-94/h91-98,143-150H,41-90H2,1-40H3,(H,129,131,132,139)(H,130,133,134,140)
InChIKeyZSPIQTVTZPBIJK-UHFFFAOYSA-N
XLogP16.05
TPSA433.82 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds67
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002417.52
LogP ≤ 516.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate?
The IUPAC name of bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate (CID 90476792) is bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate.
What is the SMILES notation for bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate?
The canonical SMILES for bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate is COCCCN(c1nc(NCCN(CCOC(=O)CCC(=O)OCCN(CCNc2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate?
The InChIKey is ZSPIQTVTZPBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H238N32O12/c1-113(2)75-91(76-114(3,4)143-113)153(53-41-65-163-33)105-131-101(132-106(139-105)154(54-42-66-164-34)92-77-115(5,6)144-116(7,8)78-92)129-51-61-151(103-135-109(157(57-45-69-167-37)95-83-121(17,18)147-122(19,20)84-95)141-110(136-103)158(58-46-70-168-38)96-85-123(21,22)148-124(23,24)86-96)63-73-171-99(161)49-50-100(162)172-74-64-152(104-137-111(159(59-47-71-169-39)97-87-125(25,26)149-126(27,28)88-97)142-112(138-104)160(60-48-72-170-40)98-89-127(29,30)150-128(31,32)90-98)62-52-130-102-133-107(155(55-43-67-165-35)93-79-117(9,10)145-118(11,12)80-93)140-108(134-102)156(56-44-68-166-36)94-81-119(13,14)146-120(15,16)82-94/h91-98,143-150H,41-90H2,1-40H3,(H,129,131,132,139)(H,130,133,134,140).
What are the key properties of bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate?
bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate has a molecular weight of 2417.52 g/mol, XLogP of 16.05, 67 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] butanedioate is sourced from PubChem (CID 90476792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).